| Autor: |
Abedien Zabardasti, Ali Kakanejadifard, Akram-Alsadat Hoseini, Mohammad Solimannejad |
| Předmět: |
|
| Zdroj: |
Dalton Transactions: An International Journal of Inorganic Chemistry; Jun2010, Vol. 39 Issue 25, p5918-5922, 5p |
| Abstrakt: |
Ab initiocalculations were used to analyze the interactions between a molecule of B2H6with CH3OH and CHnX3−nOH (X = F, Cl and n= 0,1,2) derivatives at the MP2/6-311++G(d,p) computational level. Interaction of B2H6with CH3OH occurs through its bridged protons to form a hydrogen bond cluster. On the other hand, CHnX3−nOH molecules interact with B2H6by a HtH dihydrogen bond along with a weak HbX interaction. The structures obtained have been analyzed with the atoms in molecules (AIMs) methodology. AIM calculations indicate van der Waal's interactions of X with Hbof B2H6. The stability of the clusters depends on the type and number of X derivatives. [ABSTRACT FROM AUTHOR] |
| Databáze: |
Complementary Index |
| Externí odkaz: |
|
